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Home > Fluorides > 199594-67-7
199594-67-7 | 1H-Benzimidazole, 1-[(2,6-difluorophenyl)methyl]-4-methyl-2-(1-methylethyl)-
CAS No: 199594-67-7 Catalog No: AG002C7P MDL No:
Product Description
Catalog Number:
AG002C7P
Chemical Name:
1H-Benzimidazole, 1-[(2,6-difluorophenyl)methyl]-4-methyl-2-(1-methylethyl)-
CAS Number:
199594-67-7
Molecular Formula:
C18H18F2N2
Molecular Weight:
300.3457
IUPAC Name:
1-[(2,6-difluorophenyl)methyl]-4-methyl-2-propan-2-ylbenzimidazole
InChI:
InChI=1S/C18H18F2N2/c1-11(2)18-21-17-12(3)6-4-9-16(17)22(18)10-13-14(19)7-5-8-15(13)20/h4-9,11H,10H2,1-3H3
InChI Key:
VHVDRHABPLFKJW-UHFFFAOYSA-N
SMILES:
CC(c1nc2c(n1Cc1c(F)cccc1F)cccc2C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.144g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.353g/mol
Monoisotopic Mass:
300.144g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles. | Journal of medicinal chemistry 19971219 |
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